2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide

C25H31N5O3 — CID 98065363

About 2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide

2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide (PubChem CID 98065363) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
• PubChem CID: 98065363
• Molecular Formula: C25H31N5O3
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.24
• IUPAC Name: 2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
• SMILES: CC(C)(C)c1ccc(OCC(=O)NCC2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1
• InChI: InChI=1S/C25H31N5O3/c1-25(2,3)19-8-10-20(11-9-19)32-16-22(31)28-14-17-4-6-18(7-5-17)23-29-30-24(33-23)21-15-26-12-13-27-21/h8-13,15,17-18H,4-7,14,16H2,1-3H3,(H,28,31)
• InChIKey: BEQFLKSWENMBHT-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 103.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?

The IUPAC name of 2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide (CID 98065363) is 2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide.

What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?

The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide is CC(C)(C)c1ccc(OCC(=O)NCC2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1.

What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?

The InChIKey is BEQFLKSWENMBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-25(2,3)19-8-10-20(11-9-19)32-16-22(31)28-14-17-4-6-18(7-5-17)23-29-30-24(33-23)21-15-26-12-13-27-21/h8-13,15,17-18H,4-7,14,16H2,1-3H3,(H,28,31).

What are the key properties of 2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?

2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide has a molecular weight of 449.56 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98065363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).